Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8106145 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL11844325 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL8886793 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL18556746 | 0.77 | TOP2A (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL27447205 | 0.73 | CYP1A2 (0.40) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL18993097 | 0.73 | CYP2D6 (0.36) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL5613182 | 0.71 | CYP1A2 (0.39) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL19573498 | 0.71 | PIK3CD (0.35) | CYP1A2CYP2D6DRD4 | |
| SCHEMBL20052856 | 0.71 | — | — | |
| SCHEMBL1697326 | 0.71 | ADRA2A (0.46) | CYP1A2CYP2D6HTR1DADRA2AADRA2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3903788-A1 | PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND | Taisho Pharmaceutical Co., Ltd. (JP) | 2021-11-03 | — | — | EP | disclosed |